[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3S/c1-23-14-21-22-20(23)30-18-13-16(7-8-17(18)26(28)29)24-9-11-25(12-10-24)19(27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3